CID 472222

Chembl62326

Structural Information

Molecular Formula
C9H13N4O4P
SMILES
C1=CN=C2C(=C1N)N=CN2CCOCP(=O)(O)O
InChI
InChI=1S/C9H13N4O4P/c10-7-1-2-11-9-8(7)12-5-13(9)3-4-17-6-18(14,15)16/h1-2,5H,3-4,6H2,(H2,10,11)(H2,14,15,16)
InChIKey
GWFQKESHLMOELE-UHFFFAOYSA-N
Compound name
2-(7-aminoimidazo[4,5-b]pyridin-3-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.06744 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07472 158.9
[M+Na]+ 295.05666 167.4
[M-H]- 271.06016 156.0
[M+NH4]+ 290.10126 172.5
[M+K]+ 311.03060 164.8
[M+H-H2O]+ 255.06470 149.0
[M+HCOO]- 317.06564 183.0
[M+CH3COO]- 331.08129 193.5
[M+Na-2H]- 293.04211 162.9
[M]+ 272.06689 161.6
[M]- 272.06799 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.